1-N,4-N,4-N-triethylcyclohexane-1,4-diamine

C12H26N2 — CID 18364428

IUPAC1-N,4-N,4-N-triethylcyclohexane-1,4-diamine
SMILESCCNC1CCC(N(CC)CC)CC1
InChIInChI=1S/C12H26N2/c1-4-13-11-7-9-12(10-8-11)14(5-2)6-3/h11-13H,4-10H2,1-3H3
InChIKeyYTBUBPBFTHWLSB-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds5

About 1-N,4-N,4-N-triethylcyclohexane-1,4-diamine

1-N,4-N,4-N-triethylcyclohexane-1,4-diamine (PubChem CID 18364428) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N,4-N,4-N-triethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N,4-N-triethylcyclohexane-1,4-diamine
PubChem CID18364428
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N,4-N,4-N-triethylcyclohexane-1,4-diamine
SMILESCCNC1CCC(N(CC)CC)CC1
InChIInChI=1S/C12H26N2/c1-4-13-11-7-9-12(10-8-11)14(5-2)6-3/h11-13H,4-10H2,1-3H3
InChIKeyYTBUBPBFTHWLSB-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N,4-N-triethylcyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N,4-N-triethylcyclohexane-1,4-diamine (CID 18364428) is 1-N,4-N,4-N-triethylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N,4-N-triethylcyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N,4-N-triethylcyclohexane-1,4-diamine is CCNC1CCC(N(CC)CC)CC1.
What is the InChIKey of 1-N,4-N,4-N-triethylcyclohexane-1,4-diamine?
The InChIKey is YTBUBPBFTHWLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-13-11-7-9-12(10-8-11)14(5-2)6-3/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-N,4-N,4-N-triethylcyclohexane-1,4-diamine?
1-N,4-N,4-N-triethylcyclohexane-1,4-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N,4-N-triethylcyclohexane-1,4-diamine is sourced from PubChem (CID 18364428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).